SCHEMBL2269842

SCHEMBL2269842

Cc1coc2c(O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.41
CREBBP Q92793 1/20 0.41
ESR2 Q92731 3/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.39
CES1 P23141 1/20 0.39
MAOA P21397 3/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2607400 0.80 CYP2A6 (0.48) MAPTCES1MAOACYP1A2CYP2A6
SCHEMBL23250749 0.77 CES1 (0.42) MAPTCREBBPESR2CES1ALOX15
SCHEMBL2094794 0.75 ALDH1A1 (0.39) MAPTCREBBPKMT2ACES1MAOA
SCHEMBL21227900 0.75 MAOA (0.38) MAPTCREBBPESR2ESR1MAOA
SCHEMBL2095750 0.75 CYP1A2 (0.42) MAPTCES1CYP1A2CYP2A6TDP1
SCHEMBL30395048 0.75 ACHE (0.39) MAPTCREBBPCES1CYP1A2CYP2A6
SCHEMBL2090337 0.75 CES1 (0.39) MAPTCREBBPCES1CYP1A2CYP2A6
SCHEMBL289277 0.75 ACHE (0.39) MAPTCREBBPCES1CYP1A2CYP2A6
SCHEMBL13964212 0.75 CES1 (0.39) MAPTCREBBPCES1CYP1A2CYP2A6
SCHEMBL28658713 0.75 MAPT (0.66) MAPTCREBBPMEN1KMT2AEGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-0506549-B1 Dyeing composition for keratinous fibers containing oxidation dye precursors and hydroxybenzofurans as couplers and dyeing process making use of such a composition OREAL (FR) 1995-10-18 EP claimed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 US claimed
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 WO disclosed
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-114761410-A Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2022-07-15 CN disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 US disclosed
US-4912131-A 4,7-diacyloxybenzofuran derivatives MERCK FROSST CANADA, INC. (CA) 1990-03-27 US disclosed
EP-0301692-A2 4,7-Benzofurandione derivatives MERCK FROSST CANADA INC. (CA) 1989-02-01 EP disclosed
US-4800228-A INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA, INC. (CA) 1989-01-24 US disclosed
EP-0295851-A1 4,7-diacyloxybenzofuran derivatives MERCK FROSST CANADA INC. (CA) 1988-12-21 EP disclosed
US-4778805-A ANTIALLERGENS, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, SKIN AND VISION DISORDERS MERCK FROSST CANADA (CA) 1988-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G TRPA1 320/4885ATM 1037/4885MAPT 4767/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G TRPA1 320/4885ATM 1037/4885MAPT 4767/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G TRPA1 320/4885ATM 1037/4885MAPT 4767/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 TRPA1 1074/4885ATM 3976/4885MAPT 1406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.